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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229240

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1229240
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Ca', 'Ti', 'Si', 'Ge', 'O']
  • Chemical System: Ca-Ge-O-Si-Ti
  • Density: 3.607129160621582
  • Atomic Density: 0.08240797633627131
  • Unit Cell Volume: 1164.9357776760046
  • Molar Volume: 7.307715864088506
  • Full Formula: Ca12 Ti12 Si8 Ge4 O60
  • Reduced Formula: Ca3Ti3Si2GeO15
  • Formula Anonymous: AB2C3D3E15
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -797.4277322100002
  • Final energy per atom: -8.306538877187501
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.